1-[(4-methyl-1,3-thiazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methyl-1,3-thiazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylthiazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methyl-2-thiazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methyl-1,3-thiazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methylthiazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-12-11-28-19(21-12)17(22-7-5-13(6-8-22)20(23)24)14-9-15(25-2)18(27-4)16(10-14)26-3/h9-11,13,17H,5-8H2,1-4H3,(H,23,24)